SCHEMBL4511950

SCHEMBL4511950

O=C(O)N1CCOC2c3ccccc3CCC21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.46
HSD11B1 P28845 4/20 0.45
DRD2 P14416 6/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4513322 1.00 DRD3 (0.46) DRD3HSD11B1DRD2
SCHEMBL4511951 1.00 DRD3 (0.46) DRD3HSD11B1DRD2
SCHEMBL25398545 0.88 HSD11B1 (0.49) HSD11B1
SCHEMBL4496839 0.77 HSD11B1 (0.70) HSD11B1
SCHEMBL4496840 0.77 HSD11B1 (0.70) HSD11B1
SCHEMBL14161599 0.73 DRD3 (0.53) DRD3DRD2
Hydrochloric Acid SCHEMBL11142508 0.72 DRD3 (0.58) DRD3DRD2
SCHEMBL17980257 0.70 UCHL1 (0.45) HSD11B1
SCHEMBL28454230 0.70 UCHL1 (0.45) HSD11B1
Maleic Acid SCHEMBL11200074 0.70 DRD3 (0.49) DRD3DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 DRD3 955/4885HSD11B1 2203/4885DRD2 1128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.